2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid

C13H18N2O4 — CID 23450228

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H18N2O4/c1-9(11(16)17)15(10-7-5-6-8-14-10)12(18)19-13(2,3)4/h5-9H,1-4H3,(H,16,17)
InChIKeyDEATWDKGUIVGIH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid (PubChem CID 23450228) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
PubChem CID23450228
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H18N2O4/c1-9(11(16)17)15(10-7-5-6-8-14-10)12(18)19-13(2,3)4/h5-9H,1-4H3,(H,16,17)
InChIKeyDEATWDKGUIVGIH-UHFFFAOYSA-N
XLogP2.30
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoate
CID 141179557
(2S)-2-[[4-(2-methylphenyl)-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 68740222
2-(dipyridin-2-ylamino)propanoic acid
CID 138338502
(2R)-2-[2-(aminomethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 121472653
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 24820151
(2S)-2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-2-(4-propan-2-ylphenyl)anilino]propanoic acid
CID 141179478
(2R)-2-[2,3,4,5,6-pentafluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 151402954
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
(2S)-2-[3,4-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 140655247
3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoylcarbamoyl hydrogen carbonate
CID 22594305
tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
CID 123588396

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid (CID 23450228) is 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid is CC(C(=O)O)N(C(=O)OC(C)(C)C)c1ccccn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid?
The InChIKey is DEATWDKGUIVGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(11(16)17)15(10-7-5-6-8-14-10)12(18)19-13(2,3)4/h5-9H,1-4H3,(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid is sourced from PubChem (CID 23450228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).